Table 4: Unscaled
vibrational frequencies (cm‑1) with corresponding intensities
(values given in parenthesis, km mol-1) for B2H4
and its complexes at MP2/aug-cc-pVDZ.
Compound Bond |
B2H4 |
B2H4-NH3 |
B2H4-NH2Me |
B2H4-NHMe2 |
B2H4-NMe3 |
||||
ν |
ν |
Dν |
ν |
Dν |
ν |
Dν |
ν |
Dν |
|
B1
- B4 sym-B1-H2-B4 usy-B1-H2-B4 us-B1-H5,B4-H6 sym-B1-H5,B4-H6 N…H H….B-B symH-O-H CH3O-H |
1343(3) 2129(18) 2136(44) 2811(36) 2851(0.2) 3804(4)a 3938(67)b 3841(34) |
1345(2) 2136(27) 2147(13) 2805(42) 2847(0) 105(20) |
2 7 11 -6 -4 |
1342(2) 2134(34) 2147(21) 2805(37) 2846(0.2) 110(11) |
-1 5 11 -6 -5 |
1343(1) 2123(13) 2141(40) 2803(35) 2844(0) 119(8) |
0 -6 5 -8 -7 |
1342(2) 2120(16) 2141(40) 2802(34) 2843(0) 94(1) |
-1 -9 5 -9 -8 |
ansym
O-H; bnunsym O-H